# generated using pymatgen data_In9Sn4S17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88636800 _cell_length_b 15.39342500 _cell_length_c 22.83683900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In9Sn4S17 _chemical_formula_sum 'In18 Sn8 S34' _cell_volume 1366.20280202 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 0.00000000 0.05162700 0.42058400 1.0 In In1 1 0.00000000 0.94837300 0.57941600 1.0 In In2 1 0.00000000 0.44837300 0.92058400 1.0 In In3 1 0.00000000 0.55162700 0.07941600 1.0 In In4 1 0.50000000 0.27077800 0.38924200 1.0 In In5 1 0.50000000 0.72922200 0.61075800 1.0 In In6 1 0.50000000 0.22922200 0.88924200 1.0 In In7 1 0.50000000 0.77077800 0.11075800 1.0 In In8 1 0.00000000 0.16851600 0.25915700 1.0 In In9 1 0.00000000 0.83148400 0.74084300 1.0 In In10 1 0.00000000 0.33148400 0.75915700 1.0 In In11 1 0.00000000 0.66851600 0.24084300 1.0 In In12 1 0.50000000 0.06722600 0.13619500 1.0 In In13 1 0.50000000 0.93277400 0.86380500 1.0 In In14 1 0.50000000 0.43277400 0.63619500 1.0 In In15 1 0.50000000 0.56722600 0.36380500 1.0 In In16 1 0.00000000 0.00000000 0.00000000 1.0 In In17 1 0.00000000 0.50000000 0.50000000 1.0 Sn Sn18 1 0.50000000 0.40968000 0.21624700 1.0 Sn Sn19 1 0.50000000 0.59032000 0.78375300 1.0 Sn Sn20 1 0.50000000 0.09032000 0.71624700 1.0 Sn Sn21 1 0.50000000 0.90968000 0.28375300 1.0 Sn Sn22 1 0.50000000 0.29534200 0.06424200 1.0 Sn Sn23 1 0.50000000 0.70465800 0.93575800 1.0 Sn Sn24 1 0.50000000 0.20465800 0.56424200 1.0 Sn Sn25 1 0.50000000 0.79534200 0.43575800 1.0 S S26 1 0.00000000 0.01957600 0.21017800 1.0 S S27 1 0.00000000 0.98042400 0.78982200 1.0 S S28 1 0.00000000 0.48042400 0.71017800 1.0 S S29 1 0.00000000 0.51957600 0.28982200 1.0 S S30 1 0.00000000 0.21145700 0.45968100 1.0 S S31 1 0.00000000 0.78854300 0.54031900 1.0 S S32 1 0.00000000 0.28854300 0.95968100 1.0 S S33 1 0.00000000 0.71145700 0.04031900 1.0 S S34 1 0.50000000 0.22302700 0.19155900 1.0 S S35 1 0.50000000 0.77697300 0.80844100 1.0 S S36 1 0.50000000 0.27697300 0.69155900 1.0 S S37 1 0.50000000 0.72302700 0.30844100 1.0 S S38 1 0.50000000 0.43255100 0.43346300 1.0 S S39 1 0.50000000 0.56744900 0.56653700 1.0 S S40 1 0.50000000 0.06744900 0.93346300 1.0 S S41 1 0.50000000 0.93255100 0.06653700 1.0 S S42 1 0.50000000 0.00000000 0.50000000 1.0 S S43 1 0.50000000 0.50000000 0.00000000 1.0 S S44 1 0.00000000 0.13384100 0.07036300 1.0 S S45 1 0.00000000 0.86615900 0.92963700 1.0 S S46 1 0.00000000 0.36615900 0.57036300 1.0 S S47 1 0.00000000 0.63384100 0.42963700 1.0 S S48 1 0.00000000 0.31009000 0.31675100 1.0 S S49 1 0.00000000 0.68991000 0.68324900 1.0 S S50 1 0.00000000 0.18991000 0.81675100 1.0 S S51 1 0.00000000 0.81009000 0.18324900 1.0 S S52 1 0.00000000 0.39591000 0.12748500 1.0 S S53 1 0.00000000 0.60409000 0.87251500 1.0 S S54 1 0.00000000 0.10409000 0.62748500 1.0 S S55 1 0.00000000 0.89591000 0.37251500 1.0 S S56 1 0.50000000 0.10067500 0.34127200 1.0 S S57 1 0.50000000 0.89932500 0.65872800 1.0 S S58 1 0.50000000 0.39932500 0.84127200 1.0 S S59 1 0.50000000 0.60067500 0.15872800 1.0